(Z)-but-2-enedioic acid; 2-diethylaminoethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)ethanoate

Systemtic Name: (Z)-but-2-enedioic acid; 2-diethylaminoethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)ethanoate Openeye Name: 2-diethylaminoethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(2-phenyl-1,3-benzodioxol-2-yl)acetic acid 2-diethylaminoethyl ester IUPAC Name: (Z)-but-2-enedioic acid; 2-diethylaminoethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate Traditional Name: maleic acid; 2-(2-phenyl-1,3-benzodioxol-2-yl)acetic acid 2-diethylaminoethyl ester Formula: C25H29NO8 MolecularWeight: 471.49966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CC1(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)CC1(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H25NO4.C4H4O4/c1-3-22(4-2)14-15-24-20(23)16-21(17-10-6-5-7-11-17)25-18-12-8-9-13-19(18)26-21;5-3(6)1-2-4(7)8/h5-13H,3-4,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-